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기본 정보
- CAS
672310-23-5- 표준 SMILES
CN(C(=O)OCc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1- InChIKey
XXJCJEOBWAOPCT-VQTJNVASSA-N- 분자식
- C21H26N2O3
- 평균 분자량
- 354.45 g/mol
- 단동위원소 질량
- 354.19434269
이름 및 식별자
- 우선 이름
- Carbamic acid, [(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]methyl-, phenylmethyl ester
- IUPAC
- Benzyl {(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl}methylcarbamate
- 현지명
- (2S,3'S)-[2-(3-HYDROXY-PYRROLIDIN-1-YL)-1-PHENYL-ETHYL]-METHYL-CARBAMICACID벤질에스테르
- 영어명
- (2S,3'S)-[2-(3-HYDROXY-PYRROLIDIN-1-YL)-1-PHENYL-ETHYL]-METHYL-CARBAMIC ACID BENZYL ESTER
- 분자식
- C21H26N2O3
- 분자량
- 354.44
이름 및 동의어
(2S,3'S)-[2-(3-HYDROXY-PYRROLIDIN-1-YL)-1-PHENYL-ETHYL]-METHYL-CARBAMICACID벤질에스테르Benzyl (2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)carbamateBenzyl((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)(methyl)carbamateBenzyl (1S,3'S)-[2-(3-Hydroxypyrrolidin-1-yl)-1-phenylethyl]methylcarbamate(2S,3'S)-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-Methyl-carbaMic acid benCarbamic acid, [(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]methyl-, phenylmethyl ester (9CI)
데이터베이스 식별자
- CAS
672310-23-5- PubChem CID
- 2759338
- DTXSID
DTXSID201116199
물성
물리화학적 성질
- 끓는 점
- 515.1 · 515.1±50.0 °C(Predicted)
- 밀도
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.8 · 14.80±0.20(Predicted)
화학 및 산업
공급사3 곳
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